* LIGAND DATABASE FILE (OPLS2005)
*
001     105   108    211    344     639
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02095   101.27035   -45.85139
    3     1 S   H    _H1_     3     1.02108    75.75933    60.83153
    4     1 S   H    _H2_     4     1.02101    38.80440  -151.72323
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.67109    58.72486
   26    24 S   HC   HB22    34     1.08519   110.01707   179.21765
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C18    36     1.88071    96.30485  -178.11654
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C5_    37     1.52991   103.44695    79.97733
   38    37 S   HC   _H31    38     1.08994   117.97149   -45.65266
   39    33 S   CM   _C6_    96     1.51623   105.78059   -33.94692
   40    39 S   HC   _H32    97     1.09386   114.70098    64.55498
   41    37 S   CM   _C4_    39     1.33993   125.31386   134.70198
   42    41 S   HC   _H30    40     1.08635   119.11107  -178.76965
   43    41 S   CT   _C8_    41     1.49123   123.39677     2.33028
   44    43 S   HC   _H33    42     1.09634   109.16411   134.92474
   45    43 S   HC   _H34    43     1.09552   109.39212  -108.86048
   46    43 S   CT   _C9_    44     1.52732   111.89102    14.52324
   47    46 S   HC   _H35    45     1.09537   106.78542    77.04838
   48    46 S   HC   _H36    46     1.09795   108.83093  -168.96642
   49    33 S   CT   _C19    47     1.58161   114.12129  -157.98650
   50    49 S   CT   _C16    48     1.58122   111.63288    85.76705
   51    50 S   HC   _H47    49     1.10116   105.83258   169.79863
   52    49 S   CT   _C21   102     1.55563   113.04244   -38.77889
   53    52 S   HC   _H49   103     1.07894   108.41188    61.09520
   54    52 S   HC   _H50   104     1.07962   108.40693   -58.91636
   55    52 S   HC   _H51   105     1.07987   108.37235  -178.88250
   56    50 S   CT   _C11    50     1.55422   114.83694   -75.33406
   57    56 S   HC   _H39    51     1.08898   110.99801    60.70579
   58    56 S   HC   _H40    52     1.09397   110.19121   -57.25489
   59    56 S   CT   _C13    53     1.53347   114.01656  -176.87438
   60    59 S   HC   _H43    54     1.09838   108.21654    67.17050
   61    59 S   HC   _H44    55     1.09646   109.58877  -177.53502
   62    59 S   CT   _C20    56     1.53252   111.86664   -54.50726
   63    62 S   CT   _C15    57     1.54133   107.94621    54.25343
   64    63 S   HC   _H46    58     1.10599   106.02749    54.70721
   65    62 S   CT   _C22    98     1.54233   110.15804   -71.23657
   66    65 S   HC   _H52    99     1.08358   109.07136  -179.98022
   67    65 S   HC   _H53   100     1.08303   109.04862    59.99673
   68    65 S   HC   _H54   101     1.08416   109.04120   -60.04765
   69    63 S   CT   _C10    59     1.53145   104.25535   162.98863
   70    69 S   HC   _H37    60     1.09443   111.46252  -153.07831
   71    69 S   HC   _H38    61     1.09091   113.85770    85.07472
   72    50 S   CT   _C14    92     1.58089   112.44571    54.63424
   73    72 S   HC   _H45    93     1.10197   106.74007    68.53457
   74    69 S   CT   _C12    62     1.53836   104.54333   -32.58989
   75    74 S   HC   _H41    63     1.09600   109.82662   127.97294
   76    74 S   HC   _H42    64     1.09603   111.03251  -113.60727
   77    72 S   CMA  _C7_    94     1.54574   112.61608   -45.32978
   78    77 S   OM   _O28    95     1.26132   113.14428  -166.47522
   79    62 S   CT   _C17    65     1.55389   112.85715   163.45473
   80    79 S   HC   _H48    66     1.10030   108.55215   -40.47724
   81    79 S   CT   _C29    67     1.52169   116.66904    80.24545
   82    81 S   HC   _H70    68     1.10029   108.64176    40.85892
   83    81 S   CT   _C23    69     1.53308   109.88789   -76.52310
   84    83 S   HC   _H55    70     1.09555   111.14249   -61.96198
   85    83 S   HC   _H56    71     1.09555   110.70470    58.14312
   86    83 S   HC   _H57    72     1.09486   111.10970   177.66133
   87    81 S   CT   _C27    73     1.54441   112.81689   160.98175
   88    87 S   HC   _H66    74     1.09777   109.64101   180.00000
   89    87 S   HC   _H67    75     1.09529   108.36500   -63.73946
   90    87 S   CT   _C26    76     1.53229   113.32437    57.47757
   91    90 S   HC   _H64    77     1.09593   109.53237    62.99984
   92    90 S   HC   _H65    78     1.09582   109.93666   -53.43085
   93    90 S   CT   _C28    79     1.53443   113.52338  -177.32468
   94    93 S   HC   _H68    80     1.09801   108.35864    59.97086
   95    93 S   HC   _H69    81     1.09806   107.83854   -54.50286
   96    93 S   CT   _C30    82     1.54015   116.14034  -177.13365
   97    96 S   HC   _H71    83     1.09648   109.27580    57.19947
   98    96 S   CT   _C24    84     1.53220   109.65966   -60.02737
   99    98 S   HC   _H58    85     1.09481   111.32686   -61.47871
  100    98 S   HC   _H59    86     1.09559   110.82501   178.23309
  101    98 S   HC   _H60    87     1.09608   110.75724    58.81722
  102    96 S   CT   _C25    88     1.52869   112.50744   177.60249
  103   102 S   HC   _H61    89     1.09408   111.35196    59.07212
  104   102 S   HC   _H62    90     1.09491   111.26133   179.93744
  105   102 S   HC   _H63    91     1.09606   110.73003   -60.04674
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  11   5   4   3
  21   2   1   1  13   5  11   4   8   4   8   5   4  11   4   3
  14  19   9   5   2   1   1  12   6   5  15   5   4  21  18   9
   9   3   2   1  11   6   5   5   2   8   4   3   1   1  11   4
  12   8   7   3   2   1   9   5   4   9   5   4  12   5   4   9
   8   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    49    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    46    49    50    77    39    40    52  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    43    46    47    48    49    50    51    56    72    77    78    39    40    52    53    54    55  
   35    36  
   36  
    0  
   38    41    42    43    44    45    46    49    50    77    39    40    52  
   41    42    43    49    39  
   40    52    41    46    49    50    63    72    73    77    78  
   49    72    77    78  
   42    43    44    45    46    47    48    49  
   43    44    45    46  
   44    45    46    47    48    49    50    52  
   45    46    47    48    49  
   46    47    48    49  
   47    48    49    50    51    56    72    52    53    54    55  
   48    49    50    52  
   49    50    52  
   50    51    56    57    58    59    63    72    73    77    52    53    54    55  
   51    56    57    58    59    60    61    62    63    64    69    72    73    77    78    52    53    54    55  
   56    57    58    59    63    72    73    77    52  
   53    54    55    56    72  
   54    55  
   55  
    0  
   57    58    59    60    61    62    63    79    72    73    77    65  
   58    59    60    61    62    72  
   59    60    61    62    72  
   60    61    62    63    64    69    74    79    80    81    72    65    66    67    68  
   61    62    63    79    65  
   62    63    79    65  
   63    64    69    70    71    74    75    76    79    80    81    82    83    87    72    73    77    65    66    67    68  
   64    69    70    71    74    75    76    79    80    81    72    73    77    78    65    66    67    68  
   69    70    71    74    79    72    73    77    65  
   66    67    68    69    72    74    79    80    81  
   67    68    79  
   68    79  
   79  
   70    71    74    75    76    79    80    81    72    73    77  
   71    74    75    76    79    72  
   74    75    76    79    72  
   73    77    78    74    79  
   77    78  
   75    76    79    80    81    82    83    87  
   76    79    80    81  
   79    80    81  
   78  
    0  
   80    81    82    83    84    85    86    87    88    89    90  
   81    82    83    87  
   82    83    84    85    86    87    88    89    90    91    92    93  
   83    84    85    86    87    88    89    90  
   84    85    86    87    88    89    90  
   85    86    87  
   86    87  
   87  
   88    89    90    91    92    93    94    95    96  
   89    90    91    92    93  
   90    91    92    93  
   91    92    93    94    95    96    97    98   102  
   92    93    94    95    96  
   93    94    95    96  
   94    95    96    97    98    99   100   101   102   103   104   105  
   95    96    97    98   102  
   96    97    98   102  
   97    98    99   100   101   102   103   104   105  
   98    99   100   101   102   103   104   105  
   99   100   101   102   103   104   105  
  100   101   102  
  101   102  
  102  
  103   104   105  
  104   105  
  105  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   78   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   79   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    49   268.000  1.529
   33    39   317.000  1.510
   37    38   340.000  1.080
   37    41   549.000  1.340
   41    42   340.000  1.080
   41    43   317.000  1.510
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   268.000  1.529
   49    52   268.000  1.529
   50    51   340.000  1.090
   50    56   268.000  1.529
   50    72   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   268.000  1.529
   62    63   268.000  1.529
   62    79   268.000  1.529
   62    65   268.000  1.529
   63    64   340.000  1.090
   63    69   268.000  1.529
   63    72   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    79   268.000  1.529
   79    80   340.000  1.090
   79    81   268.000  1.529
   81    82   340.000  1.090
   81    83   268.000  1.529
   81    87   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   268.000  1.529
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   268.000  1.529
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   268.000  1.529
   96    97   340.000  1.090
   96    98   268.000  1.529
   96   102   268.000  1.529
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   340.000  1.090
   72    73   340.000  1.090
   72    77   270.000  1.512
   77    78   745.000  1.250
   77    39   465.000  1.376
   39    40   340.000  1.080
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    49    75.00000  111.63000
   29    33    39    75.00000  112.20000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    49    46    58.35000  112.70000
   33    49    50    58.35000  112.70000
   33    49    52    58.35000  112.70000
   33    39    77    70.00000  124.00000
   33    39    40    35.00000  117.00000
   37    41    42    35.00000  120.00000
   37    41    43    70.00000  124.00000
   41    37    38    35.00000  120.00000
   41    43    44    35.00000  109.50000
   41    43    45    35.00000  109.50000
   41    43    46    70.00000  112.02700
   43    41    42    35.00000  117.00000
   43    46    47    37.50000  110.70000
   43    46    48    37.50000  110.70000
   43    46    49    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    37.50000  110.70000
   46    43    45    37.50000  110.70000
   46    49    50    58.35000  112.70000
   46    49    52    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    33    37    70.00000  112.02700
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    50    51    37.50000  110.70000
   49    50    56    58.35000  112.70000
   49    50    72    58.35000  112.70000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    37.50000  110.70000
   50    56    57    37.50000  110.70000
   50    56    58    37.50000  110.70000
   50    56    59    58.35000  112.70000
   50    72    63    58.35000  112.70000
   50    72    73    37.50000  110.70000
   50    72    77    70.00000  112.02700
   56    50    51    37.50000  110.70000
   56    59    60    37.50000  110.70000
   56    59    61    37.50000  110.70000
   56    59    62    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    37.50000  110.70000
   59    56    58    37.50000  110.70000
   59    62    63    58.35000  112.70000
   59    62    79    58.35000  112.70000
   59    62    65    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    37.50000  110.70000
   62    59    61    37.50000  110.70000
   62    63    64    37.50000  110.70000
   62    63    69    58.35000  112.70000
   62    63    72    58.35000  112.70000
   62    79    74    58.35000  112.70000
   62    79    80    37.50000  110.70000
   62    79    81    58.35000  112.70000
   62    65    66    37.50000  110.70000
   62    65    67    37.50000  110.70000
   62    65    68    37.50000  110.70000
   63    69    70    37.50000  110.70000
   63    69    71    37.50000  110.70000
   63    69    74    58.35000  112.70000
   63    72    73    37.50000  110.70000
   63    72    77    70.00000  112.02700
   69    63    64    37.50000  110.70000
   69    74    75    37.50000  110.70000
   69    74    76    37.50000  110.70000
   69    74    79    58.35000  112.70000
   71    69    70    33.00000  107.80000
   74    69    70    37.50000  110.70000
   74    69    71    37.50000  110.70000
   74    79    80    37.50000  110.70000
   74    79    81    58.35000  112.70000
   76    74    75    33.00000  107.80000
   79    62    63    58.35000  112.70000
   79    74    75    37.50000  110.70000
   79    74    76    37.50000  110.70000
   79    81    82    37.50000  110.70000
   79    81    83    58.35000  112.70000
   79    81    87    58.35000  112.70000
   81    79    80    37.50000  110.70000
   81    83    84    37.50000  110.70000
   81    83    85    37.50000  110.70000
   81    83    86    37.50000  110.70000
   81    87    88    37.50000  110.70000
   81    87    89    37.50000  110.70000
   81    87    90    58.35000  112.70000
   83    81    82    37.50000  110.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   87    81    82    37.50000  110.70000
   87    81    83    58.35000  112.70000
   87    90    91    37.50000  110.70000
   87    90    92    37.50000  110.70000
   87    90    93    58.35000  112.70000
   89    87    88    33.00000  107.80000
   90    87    88    37.50000  110.70000
   90    87    89    37.50000  110.70000
   90    93    94    37.50000  110.70000
   90    93    95    37.50000  110.70000
   90    93    96    58.35000  112.70000
   92    90    91    33.00000  107.80000
   93    90    91    37.50000  110.70000
   93    90    92    37.50000  110.70000
   93    96    97    37.50000  110.70000
   93    96    98    58.35000  112.70000
   93    96   102    58.35000  112.70000
   95    93    94    33.00000  107.80000
   96    93    94    37.50000  110.70000
   96    93    95    37.50000  110.70000
   96    98    99    37.50000  110.70000
   96    98   100    37.50000  110.70000
   96    98   101    37.50000  110.70000
   96   102   103    37.50000  110.70000
   96   102   104    37.50000  110.70000
   96   102   105    37.50000  110.70000
   98    96    97    37.50000  110.70000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
  102    96    97    37.50000  110.70000
  102    96    98    58.35000  112.70000
  104   102   103    33.00000  107.80000
  105   102   103    33.00000  107.80000
  105   102   104    33.00000  107.80000
   72    50    51    37.50000  110.70000
   72    50    56    58.35000  112.70000
   72    63    64    37.50000  110.70000
   72    63    69    58.35000  112.70000
   72    77    78    85.00000  112.85300
   72    77    39    65.00000  122.18000
   77    72    73    45.00000  110.52000
   77    39    40    40.00000  120.50800
   39    33    37    70.00000  110.12100
   39    33    49    70.00000  112.02700
   39    77    78    65.00000  137.10300
   65    62    63    58.35000  112.70000
   65    62    79    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   52    49    50    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
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   93    96   102   104   0.15000  1.0 3.0
   93    96   102   105   0.15000  1.0 3.0
   94    93    96    97   0.15000  1.0 3.0
   94    93    96    98   0.15000  1.0 3.0
   94    93    96   102   0.15000  1.0 3.0
   95    93    96    97   0.15000  1.0 3.0
   95    93    96    98   0.15000  1.0 3.0
   95    93    96   102   0.15000  1.0 3.0
   97    96    98    99   0.15000  1.0 3.0
   97    96    98   100   0.15000  1.0 3.0
   97    96    98   101   0.15000  1.0 3.0
   97    96   102   103   0.15000  1.0 3.0
   97    96   102   104   0.15000  1.0 3.0
   97    96   102   105   0.15000  1.0 3.0
   98    96   102   103   0.15000  1.0 3.0
   98    96   102   104   0.15000  1.0 3.0
   98    96   102   105   0.15000  1.0 3.0
  102    96    98    99   0.15000  1.0 3.0
  102    96    98   100   0.15000  1.0 3.0
  102    96    98   101   0.15000  1.0 3.0
   72    50    56    57   0.15000  1.0 3.0
   72    50    56    58   0.15000  1.0 3.0
   72    50   -56    59   0.56750  1.0 1.0
   72    50   -56    59  -0.07550 -1.0 2.0
   72    50   -56    59   0.20000  1.0 3.0
   72    63    69    70   0.15000  1.0 3.0
   72    63    69    71   0.15000  1.0 3.0
   72    63    69    74   0.56750  1.0 1.0
   72    63    69    74  -0.07550 -1.0 2.0
   72    63    69    74   0.20000  1.0 3.0
   72    77   -39    33   7.00000 -1.0 2.0
   72    77    39    40   7.00000 -1.0 2.0
   73    72    77    78   0.00000  1.0 1.0
   73    72    77    39   0.00000  1.0 1.0
   78    77    39    33   7.00000 -1.0 2.0
   78    77    39    40   7.00000 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    41  -0.28300  1.0 1.0
   39    33    37    41   0.26700 -1.0 2.0
   39    33    37    41  -0.63300  1.0 3.0
   39    33    49    46   0.34400  1.0 1.0
   39    33    49    46   0.09450 -1.0 2.0
   39    33    49    46   0.11100  1.0 3.0
   39    33   -49    50   0.34400  1.0 1.0
   39    33   -49    50   0.09450 -1.0 2.0
   39    33   -49    50   0.11100  1.0 3.0
   39    33    49    52   0.34400  1.0 1.0
   39    33    49    52   0.09450 -1.0 2.0
   39    33    49    52   0.11100  1.0 3.0
   65    62    63    64   0.15000  1.0 3.0
   65    62    63    69   0.56750  1.0 1.0
   65    62    63    69  -0.07550 -1.0 2.0
   65    62    63    69   0.20000  1.0 3.0
   65    62    63    72   0.56750  1.0 1.0
   65    62    63    72  -0.07550 -1.0 2.0
   65    62    63    72   0.20000  1.0 3.0
   65    62    79    74   0.56750  1.0 1.0
   65    62    79    74  -0.07550 -1.0 2.0
   65    62    79    74   0.20000  1.0 3.0
   65    62    79    80   0.15000  1.0 3.0
   65    62    79    81   0.56750  1.0 1.0
   65    62    79    81  -0.07550 -1.0 2.0
   65    62    79    81   0.20000  1.0 3.0
   52    49    50    51   0.15000  1.0 3.0
   52    49    50    56   0.56750  1.0 1.0
   52    49    50    56  -0.07550 -1.0 2.0
   52    49    50    56   0.20000  1.0 3.0
   52    49    50    72   0.56750  1.0 1.0
   52    49    50    72  -0.07550 -1.0 2.0
   52    49    50    72   0.20000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    41   1.10000 -1.0 2.0
   43    42    41    37   1.10000 -1.0 2.0
   72    78    77    39   1.10000 -1.0 2.0
   33    40    39    77   1.10000 -1.0 2.0
END
